(3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine

C19H33N5O2S — CID 97332378

IUPAC(3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1
InChIInChI=1S/C19H33N5O2S/c1-19(2,3)16-8-11-23(12-9-16)27(25,26)24-10-4-5-15(13-24)18-20-17(21-22-18)14-6-7-14/h14-16H,4-13H2,1-3H3,(H,20,21,22)/t15-/m1/s1
InChIKeyZCJIZNZMPODYRN-OAHLLOKOSA-N
MW395.57 g/mol
LogP2.86
Rot. Bonds4

About (3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine

(3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 97332378) has the molecular formula C19H33N5O2S and a molecular weight of 395.57 g/mol. Its IUPAC name is (3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID97332378
Molecular FormulaC19H33N5O2S
Molecular Weight395.57 g/mol
Exact Mass395.24
IUPAC Name(3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1
InChIInChI=1S/C19H33N5O2S/c1-19(2,3)16-8-11-23(12-9-16)27(25,26)24-10-4-5-15(13-24)18-20-17(21-22-18)14-6-7-14/h14-16H,4-13H2,1-3H3,(H,20,21,22)/t15-/m1/s1
InChIKeyZCJIZNZMPODYRN-OAHLLOKOSA-N
XLogP2.86
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine (CID 97332378) is (3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine is CC(C)(C)C1CCN(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1.
What is the InChIKey of (3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is ZCJIZNZMPODYRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H33N5O2S/c1-19(2,3)16-8-11-23(12-9-16)27(25,26)24-10-4-5-15(13-24)18-20-17(21-22-18)14-6-7-14/h14-16H,4-13H2,1-3H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of (3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine?
(3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 395.57 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 97332378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).